Information card for entry 4088588

Structure parameters

• Formula: C56 H48 B Cl4 F15 N2 Pd
• Calculated formula: C54 H44 B F15 N2 Pd
• Title of publication: Palladium(II) Complexes with Anionic N-Heterocyclic Carbene‒Borate Ligands as Catalysts for the Amination of Aryl Halides
• Authors of publication: Winkler, Andrea; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 8
• Pages of publication: 1160
• a: 17.6278 ± 0.0008 Å
• b: 15.967 ± 0.0006 Å
• c: 20.3148 ± 0.0008 Å
• α: 90°
• β: 106.754 ± 0.004°
• γ: 90°
• Cell volume: 5475.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No